1-[5-(5-ethyl-1,2-oxazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-4-methylpiperazine

• ChemBase ID: 700079
• Molecular Formular: C18H24N6O3
• Molecular Mass: 372.42156
• Monoisotopic Mass: 372.19098866
• SMILES: c1(nn2c(c1)CN(C(=O)c1noc(c1)CC)CC2)C(=O)N1CCN(CC1)C
• Canonical SMILES: CCc1onc(c1)C(=O)N1CCn2c(C1)cc(n2)C(=O)N1CCN(CC1)C
• InChI: InChI=1S/C18H24N6O3/c1-3-14-11-16(20-27-14)18(26)23-8-9-24-13(12-23)10-15(19-24)17(25)22-6-4-21(2)5-7-22/h10-11H,3-9,12H2,1-2H3
• InChIKey: NHVWQLHIBRKUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(5-ethyl-1,2-oxazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-4-methylpiperazine
• IUPAC Traditional name: 1-[5-(5-ethyl-1,2-oxazole-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-4-methylpiperazine
• Synonyms: 5-[(5-ethylisoxazol-3-yl)carbonyl]-2-[(4-methylpiperazin-1-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0014851
• LogD (pH = 7.4): 0.1045621
• Log P: 0.17548937
• Molar Refractivity: 111.6479 cm^3
• Polarizability: 36.90361 Å^3
• Polar Surface Area: 87.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.01
• LOG S: -3.23
• Polar Surface Area: 87.71 Å^2
• Rotatable Bonds: 3